[2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)ethanoate

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)ethanoate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 2-(4-phenylphenyl)acetate CAS Name: 2-(4-phenylphenyl)acetic acid [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate Traditional Name: 2-(4-phenylphenyl)acetic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C25H22N2O7/c28-24(26-20-14-22-23(15-21(20)27(30)31)33-12-4-11-32-22)16-34-25(29)13-17-7-9-19(10-8-17)18-5-2-1-3-6-18/h1-3,5-10,14-15H,4,11-13,16H2,(H,26,28)